5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione

C20H26N2O3 — CID 118599494

IUPAC5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C20H26N2O3/c1-3-22-19(25)21(14-17(23)15-10-6-4-7-11-15)18(24)20(22,2)16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3
InChIKeyMXPCXPYRMPLOQM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.49
Rot. Bonds5

About 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione

5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione (PubChem CID 118599494) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione
PubChem CID118599494
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C20H26N2O3/c1-3-22-19(25)21(14-17(23)15-10-6-4-7-11-15)18(24)20(22,2)16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3
InChIKeyMXPCXPYRMPLOQM-UHFFFAOYSA-N
XLogP3.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione (CID 118599494) is 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione is CCN1C(=O)N(CC(=O)c2ccccc2)C(=O)C1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione?
The InChIKey is MXPCXPYRMPLOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-22-19(25)21(14-17(23)15-10-6-4-7-11-15)18(24)20(22,2)16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3.
What are the key properties of 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione?
5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-ethyl-5-methyl-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 118599494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).